U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O4
Molecular Weight 358.472
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE

SMILES

C[C@@]1([H])C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@]1(C(=O)CO)O

InChI

InChIKey=OPANQAGTORONNC-OHIZPDRYSA-N
InChI=1S/C22H30O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6,8,11,13,16-18,23,26H,4-5,7,9-10,12H2,1-3H3/t13-,16+,17-,18-,20-,21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H30O4
Molecular Weight 358.472
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:29:13 UTC 2021
Edited
by admin
on Sat Jun 26 06:29:13 UTC 2021
Record UNII
6909Q60UM0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17,21-DIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE
Systematic Name English
BETAMETHASONE IMPURITY J [EP]
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 17,21-DIHYDROXY-16-METHYL-, (16.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
18383-24-9
Created by admin on Sat Jun 26 06:29:13 UTC 2021 , Edited by admin on Sat Jun 26 06:29:13 UTC 2021
PRIMARY
CAS
18383-24-9
Created by admin on Sat Jun 26 06:29:13 UTC 2021 , Edited by admin on Sat Jun 26 06:29:13 UTC 2021
PRIMARY
FDA UNII
6909Q60UM0
Created by admin on Sat Jun 26 06:29:13 UTC 2021 , Edited by admin on Sat Jun 26 06:29:13 UTC 2021
PRIMARY
PUBCHEM
22819726
Created by admin on Sat Jun 26 06:29:13 UTC 2021 , Edited by admin on Sat Jun 26 06:29:13 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP